4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoroethyl)piperidine

C15H26FN3 — CID 167271876

IUPAC4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoroethyl)piperidine
SMILESCc1cc(C(C)(C)C)n(C2CCN(CCF)CC2)n1
InChIInChI=1S/C15H26FN3/c1-12-11-14(15(2,3)4)19(17-12)13-5-8-18(9-6-13)10-7-16/h11,13H,5-10H2,1-4H3
InChIKeyOJSIGIZDZJXWBE-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.10
Rot. Bonds3

About 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoroethyl)piperidine

4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoroethyl)piperidine (PubChem CID 167271876) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoroethyl)piperidine.

Molecular Properties

Compound Name4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoroethyl)piperidine
PubChem CID167271876
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC Name4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoroethyl)piperidine
SMILESCc1cc(C(C)(C)C)n(C2CCN(CCF)CC2)n1
InChIInChI=1S/C15H26FN3/c1-12-11-14(15(2,3)4)19(17-12)13-5-8-18(9-6-13)10-7-16/h11,13H,5-10H2,1-4H3
InChIKeyOJSIGIZDZJXWBE-UHFFFAOYSA-N
XLogP3.10
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoroethyl)piperidine?
The IUPAC name of 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoroethyl)piperidine (CID 167271876) is 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoroethyl)piperidine.
What is the SMILES notation for 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoroethyl)piperidine?
The canonical SMILES for 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoroethyl)piperidine is Cc1cc(C(C)(C)C)n(C2CCN(CCF)CC2)n1.
What is the InChIKey of 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoroethyl)piperidine?
The InChIKey is OJSIGIZDZJXWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3/c1-12-11-14(15(2,3)4)19(17-12)13-5-8-18(9-6-13)10-7-16/h11,13H,5-10H2,1-4H3.
What are the key properties of 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoroethyl)piperidine?
4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoroethyl)piperidine has a molecular weight of 267.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-3-methylpyrazol-1-yl)-1-(2-fluoroethyl)piperidine is sourced from PubChem (CID 167271876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).